(2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde

C10H14O — CID 130985593

IUPAC(2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESCC[C@@H]1C2C=CC(C2)[C@@H]1C=O
InChIInChI=1S/C10H14O/c1-2-9-7-3-4-8(5-7)10(9)6-11/h3-4,6-10H,2,5H2,1H3/t7?,8?,9-,10+/m1/s1
InChIKeyOVDYFVSRBZYTMF-BMNUFHGDSA-N
MW150.22 g/mol
LogP2.03
Rot. Bonds2

About (2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde

(2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde (PubChem CID 130985593) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
PubChem CID130985593
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESCC[C@@H]1C2C=CC(C2)[C@@H]1C=O
InChIInChI=1S/C10H14O/c1-2-9-7-3-4-8(5-7)10(9)6-11/h3-4,6-10H,2,5H2,1H3/t7?,8?,9-,10+/m1/s1
InChIKeyOVDYFVSRBZYTMF-BMNUFHGDSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde
CID 152840581
5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene
CID 154358020
2-[3-(2-oxoethyl)-2-bicyclo[2.2.1]hept-5-enyl]acetaldehyde
CID 59748043
(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate
CID 59748190
(3-formyl-2-bicyclo[2.2.1]hept-5-enyl)carbamic acid
CID 123608731
3-formylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 22620607
methyl (1S,2R,3S,4R)-3-formylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15699518
5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene
CID 59748077
[(1S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 23555960
4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide
CID 59748366
3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal
CID 59748167
(1S,2S,3S,4R)-3-cyclohexylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 102321834

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The IUPAC name of (2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde (CID 130985593) is (2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde.
What is the SMILES notation for (2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The canonical SMILES for (2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde is CC[C@@H]1C2C=CC(C2)[C@@H]1C=O.
What is the InChIKey of (2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The InChIKey is OVDYFVSRBZYTMF-BMNUFHGDSA-N. The full InChI is InChI=1S/C10H14O/c1-2-9-7-3-4-8(5-7)10(9)6-11/h3-4,6-10H,2,5H2,1H3/t7?,8?,9-,10+/m1/s1.
What are the key properties of (2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
(2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde is sourced from PubChem (CID 130985593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).